Water: A tale of two liquids

P Gallo, K Amann-Winkel, CA Angell… - Chemical …, 2016 - ACS Publications
Water is the most abundant liquid on earth and also the substance with the largest number
of anomalies in its properties. It is a prerequisite for life and as such a most important subject …

X-ray and electron spectroscopy of water

T Fransson, Y Harada, N Kosugi, NA Besley… - Chemical …, 2016 - ACS Publications
Here we present an overview of recent developments of X-ray and electron spectroscopy to
probe water at different temperatures. Photon-induced ionization followed by detection of …

Perspective on the structure of liquid water

A Nilsson, LGM Pettersson - Chemical Physics, 2011 - Elsevier
We present a picture that combines discussions regarding the thermodynamic anomalies in
ambient and supercooled water with recent interpretations of X-ray spectroscopy and …

Origin of 5‐hydroxymethylfurfural stability in water/dimethyl sulfoxide mixtures

G Tsilomelekis, TR Josephson, V Nikolakis… - …, 2014 - Wiley Online Library
In the present work, we combined vibrational spectroscopy with electronic structure
calculations to understand the solvation of HMF in DMSO, water, and DMSO/water mixtures …

Ab initio calculations of x-ray spectra: Atomic multiplet and molecular orbital effects in a multiconfigurational scf approach to the l-edge spectra of transition metal …

I Josefsson, K Kunnus, S Schreck… - The journal of …, 2012 - ACS Publications
A new ab initio approach to the calculation of X-ray spectra is demonstrated. It combines a
high-level quantum chemical description of the chemical interactions and local atomic …

Viewing the valence electronic structure of ferric and ferrous hexacyanide in solution from the Fe and cyanide perspectives

K Kunnus, W Zhang, MG Delcey… - The Journal of …, 2016 - ACS Publications
The valence-excited states of ferric and ferrous hexacyanide ions in aqueous solution were
mapped by resonant inelastic X-ray scattering (RIXS) at the Fe L2, 3 and NK edges. Probing …

A proposal for the structure of high-and low-density fluctuations in liquid water

G Camisasca, D Schlesinger, I Zhovtobriukh… - The Journal of …, 2019 - pubs.aip.org
Based on recent experimental data that can be interpreted as indicating the presence of
specific structures in liquid water, we build and optimize two structural models which we …

Chemical bonding in aqueous ferrocyanide: experimental and theoretical X-ray spectroscopic study

N Engel, SI Bokarev, E Suljoti… - The Journal of …, 2014 - ACS Publications
Resonant inelastic X-ray scattering (RIXS) and X-ray absorption (XA) experiments at the iron
L-and nitrogen K-edge are combined with high-level first-principles restricted active space …

A setup for resonant inelastic soft x-ray scattering on liquids at free electron laser light sources

K Kunnus, I Rajkovic, S Schreck, W Quevedo… - Review of Scientific …, 2012 - pubs.aip.org
We present a flexible and compact experimental setup that combines an in vacuum liquid jet
with an x-ray emission spectrometer to enable static and femtosecond time-resolved …

Electronic structure of ions and molecules in solution: a view from modern soft X-ray spectroscopies

KM Lange, EF Aziz - Chemical Society Reviews, 2013 - pubs.rsc.org
Soft X-ray spectroscopies are powerful tools for probing the local electronic and molecular
orbital structures of materials in different phases and various environments. While modern …